Home Halogens 5-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

5-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

CAS No.:
93608-69-6
Catalog Number:
AG019VWI
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
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Product Description
Catalog Number:
AG019VWI
Chemical Name:
5-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number:
93608-69-6
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
MDL Number:
MFCD09041836
IUPAC Name:
5-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C9H11ClN4/c1-9(2,3)6-4-7(10)14-8(13-6)11-5-12-14/h4-5H,1-3H3
InChI Key:
SMOUGYDUFWHMAY-UHFFFAOYSA-N
SMILES:
Clc1cc(nc2n1ncn2)C(C)(C)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.665g/mol
Monoisotopic Mass:
210.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties